SCHEMBL3909193

SCHEMBL3909193

CCCCC(CC)c1nnc(C(N)=O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MIF P14174 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 1/20 0.33
PTGER3 P43115 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1743688 0.87 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19003161 0.77 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL3901356 0.76 ALDH1A1 (0.48) CA2CA1ALDH1A1NPC1RAB9A
SCHEMBL22064868 0.74 KDM4E (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19501167 0.72 KDM4E (0.40) KDM4ESMN1; SMN2POLBLMNA
SCHEMBL2773847 0.71 SMN1; SMN2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28666982 0.71 KDM4E (0.40) KDM4ECA2CA1ALDH1A1NPC1
SCHEMBL22065258 0.70 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3905814 0.70 NPC1 (0.30) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL21501800 0.67 POLB (0.37) KDM4EALDH1A1SMN1; SMN2POLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP claimed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US claimed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US claimed
US-7232820-B2 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-06-19 US claimed
EP-1735294-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP claimed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP claimed
WO-2005095368-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO claimed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US claimed
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP disclosed
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-10-09 US disclosed
US-7408068-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-08-05 US disclosed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005095368-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US disclosed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 KDM4E 3582/4885CA2 3363/4885CA1 1237/4885
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 KDM4E 3582/4885CA2 3363/4885CA1 1237/4885
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 KDM4E 3286/4885CA2 4715/4885CA1 3759/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 KDM4E 3582/4885CA2 3363/4885CA1 1237/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.